{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.641738 0.725352 0.75 ] [ 0.916386 0.641738 0.25 ] [ 0.725352 0.083614 0.25 ] [ 0.274648 0.916386 0.75 ] [ 0.083614 0.358262 0.75 ] [ 0.358262 0.274648 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.563123 0.685107 0.25 ] [ 0.878016 0.563123 0.75 ] [ 0.685107 0.121984 0.75 ] [ 0.314893 0.878016 0.25 ] [ 0.121984 0.436877 0.25 ] [ 0.436877 0.314893 0.75 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Cr" "Cr" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 7.83188423076 "source-unit" "angstrom" } "c" { "source-value" 5.25385579 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.501572519285714 "source-unit" "eV" } }